N-(3-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide

C19H13BrN4O — CID 109178798

IUPACN-(3-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
SMILESN#Cc1cccc(Nc2cc(C(=O)Nc3cccc(Br)c3)ccn2)c1
InChIInChI=1S/C19H13BrN4O/c20-15-4-2-6-17(11-15)24-19(25)14-7-8-22-18(10-14)23-16-5-1-3-13(9-16)12-21/h1-11H,(H,22,23)(H,24,25)
InChIKeyOOTFNTMKEZQZLZ-UHFFFAOYSA-N
MW393.24 g/mol
LogP4.71
Rot. Bonds4

About N-(3-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide

N-(3-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide (PubChem CID 109178798) has the molecular formula C19H13BrN4O and a molecular weight of 393.24 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
PubChem CID109178798
Molecular FormulaC19H13BrN4O
Molecular Weight393.24 g/mol
Exact Mass392.03
IUPAC NameN-(3-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
SMILESN#Cc1cccc(Nc2cc(C(=O)Nc3cccc(Br)c3)ccn2)c1
InChIInChI=1S/C19H13BrN4O/c20-15-4-2-6-17(11-15)24-19(25)14-7-8-22-18(10-14)23-16-5-1-3-13(9-16)12-21/h1-11H,(H,22,23)(H,24,25)
InChIKeyOOTFNTMKEZQZLZ-UHFFFAOYSA-N
XLogP4.71
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-acetamidoanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109178564
N-(2-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109178790
N-(3-bromophenyl)-2-(3-methylanilino)pyridine-4-carboxamide
CID 109176276
N-(4-tert-butylphenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109177184
2-(3-cyanoanilino)-N-(2,4,6-trimethylphenyl)pyridine-4-carboxamide
CID 109177129
N-(3-acetylphenyl)-2-(4-cyanoanilino)pyridine-4-carboxamide
CID 109178483
2-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109177974
N-(3-bromophenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109178014
2-(3-chloro-4-methoxyanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109177812
2-(3-cyanoanilino)-N-(2,5-dichlorophenyl)pyridine-4-carboxamide
CID 109178943
2-(3-cyanoanilino)-N-(4-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 109178743
2-(4-chloro-2-methylanilino)-N-(3-cyanophenyl)pyridine-4-carboxamide
CID 109177682

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide?
The IUPAC name of N-(3-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide (CID 109178798) is N-(3-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide is N#Cc1cccc(Nc2cc(C(=O)Nc3cccc(Br)c3)ccn2)c1.
What is the InChIKey of N-(3-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide?
The InChIKey is OOTFNTMKEZQZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN4O/c20-15-4-2-6-17(11-15)24-19(25)14-7-8-22-18(10-14)23-16-5-1-3-13(9-16)12-21/h1-11H,(H,22,23)(H,24,25).
What are the key properties of N-(3-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide?
N-(3-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide has a molecular weight of 393.24 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109178798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).